2-Methylsulfonylthiophene

C₅H₆O₂S₂CAS 38695-60-2162.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆O₂S₂
Molar mass: 162.22 g/mol
Exact mass: 161.9809 Da
logP: 1.15Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

38695-60-2

SMILES

CS(=O)(=O)C1=CC=CS1

InChIKey

BNYLGFINMVZZGA-UHFFFAOYSA-N

InChI

InChI=1S/C5H6O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Methylsulfonylthiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Thiophenesulfonyl chloride16629-19-952 % similar 2-Thiophenesulfonamide6339-87-352 % similar 2-Benzenesulfonylthiophene22407-40-548 % similar Methyl phenyl sulfone3112-85-448 % similar N-tert-Butyl-2-thiophenesulfonamide100342-30-147 % similar Thiophene-2-sulfonylacetonitrile175137-62-943 % similar Methyl p-tolyl sulfone3185-99-740 % similar p-Tolyl methyl sulfone59203-01-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook